element(s):
['Ti']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.0022', '1.5915662']
model name:
MEAM_LAMMPS_MirazDhariwalMeng_2020_CuNTi__MO_122936827583_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ti']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[3.0022, 0, 0], [-1.5011, 2.5999814672416, 0], [0, 0, 4.7782]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:14:31       -9.703747         0.645637
BFGS:    1 15:14:31       -9.716716         0.528142
BFGS:    2 15:14:31       -9.739106         0.152785
BFGS:    3 15:14:31       -9.739507         0.096808
BFGS:    4 15:14:31       -9.739740         0.068914
BFGS:    5 15:14:31       -9.740244         0.030906
BFGS:    6 15:14:31       -9.740319         0.010291
BFGS:    7 15:14:31       -9.740327         0.001702
BFGS:    8 15:14:31       -9.740327         0.000130
BFGS:    9 15:14:31       -9.740327         0.000003
BFGS:   10 15:14:31       -9.740327         0.000000
BFGS:   11 15:14:31       -9.740327         0.000000
Minimization converged after 11 steps.
Maximum force component: 5.409569709497126e-32 eV/Angstrom
Maximum stress component: 3.300086521005593e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ti', 'Ti']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.925842896734072, 1.0883071728759658e-17, 2.19286825300987e-36], [-1.462921448367036, 2.533854276053956, 2.2120524648144764e-36], [-6.972834827877004e-36, -2.0854905052547075e-35, 4.749421576471197]])
forces =  [[-5.40956971e-32  1.04107218e-32  3.90274271e-32]
 [ 5.40956971e-32 -1.04107218e-32 -3.90274271e-32]]
stress =  [-1.60492679e-11 -1.60492679e-11 -3.30008652e-11 -2.64325047e-46
 -8.09080804e-47  9.25183785e-27]
energy per atom =  -4.8701634546925145
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0